SCHEMBL4430895

SCHEMBL4430895

Cc1c(N(CC(=O)O)S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 19/20 0.47
NFE2L2 Q16236 19/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13390351 0.86 KEAP1 (0.37) KEAP1NFE2L2
SCHEMBL4433910 0.80 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL4439684 0.78 KEAP1 (0.44) KEAP1NFE2L2
SCHEMBL4432767 0.77 KEAP1 (0.41) KEAP1NFE2L2
SCHEMBL3300362 0.77 ACLY (0.32)
SCHEMBL2850695 0.76 TP53 (0.44) KEAP1NFE2L2
SCHEMBL4433136 0.76 KEAP1 (0.46) KEAP1NFE2L2
SCHEMBL4438874 0.74 SMN1; SMN2 (0.48) KEAP1NFE2L2
SCHEMBL4434288 0.73 TP53 (0.43) KEAP1NFE2L2
SCHEMBL10317101 0.73 HTR6 (0.44) KEAP1NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed